#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v47 s LYS 2 N 0.00 0.14 -1.09 2.12 3.01 -1.26 -5.05 119.74 117.61 2v47 s LYS 2 Ca 0.00 -0.36 -0.06 0.00 -1.01 0.00 0.00 55.97 54.55 2v47 s LYS 2 Cb 0.00 -1.41 0.30 0.00 -1.01 0.00 0.00 37.83 35.71 2v47 s LYS 2 CO 0.00 -0.89 1.37 2.41 0.51 0.00 0.00 175.35 178.76 2v47 n THR 3 N 5.26 5.11 0.00 2.17 -1.04 -1.26 -4.89 114.28 119.63 2v47 n THR 3 Ca -0.06 -5.77 0.00 0.00 -2.04 0.00 0.00 64.05 56.18 2v47 n THR 3 Cb 0.45 -2.23 0.00 0.00 -1.82 0.00 0.00 70.33 66.72 2v47 n THR 3 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2v47 n TYR 4 N 1.74 0.00 -3.18 -1.42 4.02 -1.26 -4.77 117.16 112.30 2v47 n TYR 4 Ca 0.25 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.75 2v47 n TYR 4 Cb 0.35 -0.36 -0.06 0.00 -0.02 0.00 0.00 39.34 39.25 2v47 n TYR 4 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2v47 s VAL 5 N 2.73 5.08 0.00 -0.72 1.01 -1.26 -5.02 120.40 122.23 2v47 s VAL 5 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.09 2v47 s VAL 5 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2v47 s VAL 5 CO 0.00 0.20 0.00 -0.81 0.00 0.00 0.00 175.10 174.49 2v47 n PRO 6 N 4.49 0.83 -4.09 2.72 -0.04 -1.26 -5.14 135.00 132.50 2v47 n PRO 6 Ca -0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.32 2v47 n PRO 6 Cb 0.51 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.88 2v47 n PRO 6 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2v47 s LYS 7 N -1.85 1.21 -0.18 0.54 1.02 -1.26 -5.03 119.74 114.19 2v47 s LYS 7 Ca 0.00 -1.41 -0.02 0.00 0.02 0.00 0.00 55.97 54.56 2v47 s LYS 7 Cb 0.00 0.33 -0.06 0.00 -0.52 0.00 0.00 37.83 37.58 2v47 s LYS 7 CO 0.00 -0.42 0.61 1.04 -0.92 0.00 0.00 175.35 175.66 2v47 n GLN 8 N -0.25 0.00 0.00 1.68 6.02 -1.26 -4.84 117.38 118.74 2v47 n GLN 8 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2v47 n GLN 8 Cb 0.64 -0.41 0.00 0.00 1.02 0.00 0.00 30.24 31.49 2v47 n GLN 8 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2v47 n VAL 9 N 2.01 0.00 -3.89 5.09 0.31 -1.26 -5.10 118.33 115.49 2v47 n VAL 9 Ca 0.12 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.34 2v47 n VAL 9 Cb 0.14 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.95 2v47 n VAL 9 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2v47 s GLU 10 N 0.00 0.29 1.11 5.55 2.56 -1.26 -5.16 118.70 121.79 2v47 s GLU 10 Ca 0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 54.97 54.52 2v47 s GLU 10 Cb 0.00 0.12 0.09 0.00 2.00 0.00 0.00 34.13 36.34 2v47 s GLU 10 CO 0.00 -0.06 -0.06 -0.35 -0.56 0.00 0.00 175.26 174.23 2v47 n PRO 11 N 2.11 -1.52 -2.76 4.30 -0.04 -1.26 -5.01 135.00 130.82 2v47 n PRO 11 Ca -0.19 -0.43 -0.02 0.00 -0.04 0.00 0.00 63.50 62.82 2v47 n PRO 11 Cb 0.57 -1.67 0.07 0.00 -0.04 0.00 0.00 33.50 32.43 2v47 n PRO 11 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2v47 n ARG 12 N -1.86 1.50 -0.88 0.54 0.63 -1.26 -5.00 116.66 110.34 2v47 n ARG 12 Ca 0.01 -2.72 -0.38 0.00 -0.92 0.00 0.00 57.85 53.83 2v47 n ARG 12 Cb 0.63 -0.88 -0.07 0.00 0.45 0.00 0.00 32.46 32.59 2v47 n ARG 12 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 2v47 n TRP 13 N -0.77 0.84 -0.23 -0.14 7.02 -1.26 -4.44 117.44 118.46 2v47 n TRP 13 Ca -0.00 0.56 0.00 0.00 -1.02 0.00 0.00 57.50 57.03 2v47 n TRP 13 Cb 0.83 -1.39 0.00 0.00 -2.42 0.00 0.00 31.31 28.33 2v47 n TRP 13 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2v47 n VAL 14 N 3.42 0.00 0.00 -0.99 0.31 -1.26 -3.17 118.33 116.64 2v47 n VAL 14 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2v47 n VAL 14 Cb -0.03 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 2v47 n VAL 14 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2v47 n LEU 15 N 0.00 0.00 -3.69 7.52 -0.00 -1.00 -4.04 117.00 115.79 2v47 n LEU 15 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 2v47 n LEU 15 Cb 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 43.42 43.24 2v47 n LEU 15 CO 0.00 0.00 -0.35 -0.51 -0.00 0.00 0.00 177.39 176.53 2v47 s ILE 16 N 0.00 0.05 -0.08 1.96 2.07 -1.13 -0.35 121.20 123.72 2v47 s ILE 16 Ca 0.00 0.17 0.12 0.00 -1.41 0.00 0.00 60.65 59.54 2v47 s ILE 16 Cb 0.00 -0.38 0.19 0.00 0.13 0.00 0.00 42.46 42.40 2v47 s ILE 16 CO 0.00 0.08 1.08 -0.67 -1.91 0.00 0.00 174.94 173.52 2v47 n ASP 17 N 5.24 1.80 -1.16 4.50 4.64 -1.26 -2.19 116.55 128.11 2v47 n ASP 17 Ca -0.05 -2.67 0.00 0.00 -1.38 0.00 0.00 54.79 50.68 2v47 n ASP 17 Cb 0.50 -0.32 0.00 0.00 -1.04 0.00 0.00 41.12 40.26 2v47 n ASP 17 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2v47 n ALA 18 N -1.00 1.84 0.22 -1.67 0.00 -1.26 -3.96 120.51 114.68 2v47 n ALA 18 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.61 2v47 n ALA 18 Cb 0.59 -1.14 0.36 0.00 0.00 0.00 0.00 19.45 19.27 2v47 n ALA 18 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2v47 h GLU 19 N 1.79 0.00 0.00 0.00 -0.00 -1.84 0.31 114.58 114.85 2v47 h GLU 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2v47 h GLU 19 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.01 2v47 h GLU 19 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.42 2v47 n GLY 20 N -1.28 -0.26 3.88 1.06 0.00 -1.25 -3.80 105.19 103.53 2v47 n GLY 20 Ca -0.01 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2v47 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2v47 s LYS 21 N -2.00 3.16 -0.11 1.61 1.02 0.11 -4.46 119.74 119.07 2v47 s LYS 21 Ca 0.11 -0.80 -0.34 0.00 0.02 0.00 0.00 55.97 54.96 2v47 s LYS 21 Cb 0.05 -2.77 -0.12 0.00 -0.52 0.00 0.00 37.83 34.48 2v47 s LYS 21 CO 0.09 0.47 1.90 2.41 -0.92 0.00 0.00 175.35 179.30 2v47 n THR 22 N -0.75 0.56 -0.50 2.17 -1.04 -1.26 -3.14 114.28 110.32 2v47 n THR 22 Ca -0.08 -0.12 -0.29 0.00 -2.04 0.00 0.00 64.05 61.52 2v47 n THR 22 Cb 0.55 -1.87 0.27 0.00 -1.82 0.00 0.00 70.33 67.46 2v47 n THR 22 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2v47 s LEU 23 N 4.33 -0.03 0.00 -4.42 2.34 -1.23 0.43 118.68 120.10 2v47 s LEU 23 Ca 0.94 1.19 0.00 0.00 0.06 0.00 0.00 54.13 56.32 2v47 s LEU 23 Cb -0.70 -2.88 0.00 0.00 -0.56 0.00 0.00 46.19 42.05 2v47 s LEU 23 CO 0.52 -4.71 0.00 0.61 -1.06 0.00 0.00 176.35 171.71 2v47 n GLY 24 N 0.96 1.55 0.33 -3.48 0.00 -1.26 -3.57 105.19 99.71 2v47 n GLY 24 Ca 0.07 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2v47 n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2v47 h ARG 25 N 0.00 0.10 0.00 1.61 3.08 -1.90 1.63 114.38 118.91 2v47 h ARG 25 Ca 0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2v47 h ARG 25 Cb 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 2v47 h ARG 25 CO 0.00 0.07 -0.05 1.25 -1.07 0.00 0.00 179.97 180.17 2v47 h LEU 26 N 0.11 0.00 -0.92 3.04 5.85 -0.07 -3.36 115.31 119.95 2v47 h LEU 26 Ca 0.16 -0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.95 2v47 h LEU 26 Cb 0.49 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.38 2v47 h LEU 26 CO -0.02 0.56 -0.38 0.00 -0.34 0.00 0.00 178.44 178.25 2v47 n ALA 27 N -2.85 -0.18 -0.07 1.25 0.00 -0.55 -1.42 120.51 116.69 2v47 n ALA 27 Ca -0.01 0.90 0.00 0.00 0.00 0.00 0.00 53.44 54.32 2v47 n ALA 27 Cb 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2v47 n ALA 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2v47 n THR 28 N -5.32 0.00 -0.12 0.00 -1.04 0.55 0.11 114.28 108.45 2v47 n THR 28 Ca 0.08 0.61 -0.05 0.00 -2.04 0.00 0.00 64.05 62.66 2v47 n THR 28 Cb 0.35 -0.82 0.03 0.00 -1.82 0.00 0.00 70.33 68.06 2v47 n THR 28 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2v47 h LYS 29 N 0.00 0.10 0.00 -2.82 1.57 -1.43 0.12 116.57 114.12 2v47 h LYS 29 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2v47 h LYS 29 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2v47 h LYS 29 CO 0.00 0.07 0.23 -0.89 -0.57 0.00 0.00 179.45 178.28 2v47 n ILE 30 N -5.19 1.08 -0.04 1.86 5.41 0.29 -1.02 119.36 121.75 2v47 n ILE 30 Ca 0.02 0.53 -0.04 0.00 1.00 0.00 0.00 62.75 64.27 2v47 n ILE 30 Cb 0.20 -1.53 -0.01 0.00 -0.71 0.00 0.00 39.64 37.59 2v47 n ILE 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2v47 n ALA 31 N -1.32 0.38 -0.32 -1.39 0.00 0.37 -2.58 120.51 115.65 2v47 n ALA 31 Ca -0.00 -0.47 0.13 0.00 0.00 0.00 0.00 53.44 53.10 2v47 n ALA 31 Cb 0.23 0.01 0.25 0.00 0.00 0.00 0.00 19.45 19.94 2v47 n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2v47 n THR 32 N -3.45 -0.39 0.08 0.00 -1.04 -0.80 0.20 114.28 108.88 2v47 n THR 32 Ca -0.06 2.05 -0.10 0.00 -2.04 0.00 0.00 64.05 63.90 2v47 n THR 32 Cb 0.22 -2.97 -0.09 0.00 -1.82 0.00 0.00 70.33 65.67 2v47 n THR 32 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2v47 h LEU 33 N 0.00 0.17 -1.05 -4.42 3.38 -1.29 -3.05 115.31 109.04 2v47 h LEU 33 Ca 0.54 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.40 2v47 h LEU 33 Cb 1.09 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 2v47 h LEU 33 CO -0.88 1.09 0.63 0.25 0.09 0.00 0.00 178.44 179.61 2v47 h LEU 34 N 0.04 1.02 0.00 1.67 7.12 0.25 -2.26 115.31 123.15 2v47 h LEU 34 Ca -0.05 0.00 -0.21 0.00 0.13 0.00 0.00 57.88 57.75 2v47 h LEU 34 Cb 1.75 -0.22 0.01 0.00 -0.53 0.00 0.00 40.66 41.67 2v47 h LEU 34 CO 0.15 0.66 -0.03 -2.11 -0.13 0.00 0.00 178.44 176.98 2v47 n ARG 35 N -4.48 0.83 -3.39 1.25 1.85 0.13 -4.14 116.66 108.71 2v47 n ARG 35 Ca 0.14 -1.38 -0.43 0.00 -1.00 0.00 0.00 57.85 55.18 2v47 n ARG 35 Cb 0.16 -0.10 -0.09 0.00 -1.05 0.00 0.00 32.46 31.38 2v47 n ARG 35 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2v47 s GLY 36 N -3.15 1.97 0.00 2.89 0.00 -0.14 -4.01 107.32 104.87 2v47 s GLY 36 Ca 0.27 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.26 2v47 s GLY 36 CO 0.17 1.04 0.00 1.17 0.00 0.00 0.00 173.10 175.48 2v47 n LYS 37 N 5.34 2.14 -0.09 2.90 3.00 -1.16 -4.79 118.16 125.50 2v47 n LYS 37 Ca -0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.12 2v47 n LYS 37 Cb 0.46 -0.18 -0.03 0.00 0.00 0.00 0.00 35.03 35.29 2v47 n LYS 37 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2v47 n HIS 38 N 0.00 0.00 -2.28 5.64 1.44 -1.26 -4.86 115.22 113.90 2v47 n HIS 38 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 2v47 n HIS 38 Cb 0.00 -0.50 -0.03 0.00 0.12 0.00 0.00 29.99 29.59 2v47 n HIS 38 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2v47 s ARG 39 N -2.86 3.33 -0.94 -1.40 3.00 -1.26 -4.90 118.95 113.92 2v47 s ARG 39 Ca -0.28 0.79 -0.25 0.00 -1.00 0.00 0.00 55.73 54.99 2v47 s ARG 39 Cb 0.04 -4.13 -0.20 0.00 0.00 0.00 0.00 34.95 30.67 2v47 s ARG 39 CO 0.42 -1.88 2.17 -0.35 0.00 0.00 0.00 175.30 175.66 2v47 n PRO 40 N 8.47 0.24 0.00 5.12 -0.04 -1.26 -3.69 135.00 143.84 2v47 n PRO 40 Ca 0.16 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 2v47 n PRO 40 Cb 0.49 -3.67 0.00 0.00 -0.04 0.00 0.00 33.50 30.27 2v47 n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2v47 n ASP 41 N 18.65 0.10 0.00 3.54 9.92 -1.26 -5.11 116.55 142.39 2v47 n ASP 41 Ca 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 2v47 n ASP 41 Cb 0.45 0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 2v47 n ASP 41 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2v47 n TRP 42 N -0.46 0.00 -2.94 1.24 -0.00 -1.24 -4.73 117.44 109.31 2v47 n TRP 42 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.37 2v47 n TRP 42 Cb 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.35 2v47 n TRP 42 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 2v47 n THR 43 N 0.00 -0.00 0.00 5.87 -1.04 -1.26 -5.04 114.28 112.81 2v47 n THR 43 Ca 0.00 -3.09 0.00 0.00 -2.04 0.00 0.00 64.05 58.92 2v47 n THR 43 Cb 0.00 0.57 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 2v47 n THR 43 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2v47 n PRO 44 N 0.23 0.00 0.00 -2.82 -0.01 -1.26 0.36 135.00 131.50 2v47 n PRO 44 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.64 2v47 n PRO 44 Cb 0.70 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 34.19 2v47 n PRO 44 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 175.50 175.76 2v47 n ASN 45 N -0.63 0.00 0.00 2.55 0.23 -1.26 -4.14 115.26 112.01 2v47 n ASN 45 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2v47 n ASN 45 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2v47 n ASN 45 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2v47 n VAL 46 N 0.05 0.00 0.00 3.53 3.14 1.13 -5.07 118.33 121.10 2v47 n VAL 46 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2v47 n VAL 46 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2v47 n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2v47 n ALA 47 N -3.00 0.00 -2.03 1.55 0.00 -1.26 -5.04 120.51 110.73 2v47 n ALA 47 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2v47 n ALA 47 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2v47 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2v47 s MET 48 N 0.00 4.39 0.00 0.00 0.23 -1.26 -4.97 119.30 117.68 2v47 s MET 48 Ca 0.00 1.01 0.00 0.00 -1.03 0.00 0.00 55.69 55.67 2v47 s MET 48 Cb 0.00 -3.00 0.00 0.00 -1.53 0.00 0.00 34.83 30.30 2v47 s MET 48 CO 0.00 0.44 0.00 0.41 -2.03 0.00 0.00 175.02 173.84 2v47 n GLY 49 N 1.00 3.17 3.75 3.16 0.00 -1.26 -0.97 105.19 114.05 2v47 n GLY 49 Ca -0.03 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 2v47 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2v47 s ASP 50 N 0.00 5.41 0.00 1.61 -0.00 -0.85 -4.66 116.67 118.18 2v47 s ASP 50 Ca 0.00 2.70 0.14 0.00 -0.00 0.00 0.00 52.55 55.39 2v47 s ASP 50 Cb 0.00 -2.63 0.86 0.00 -0.00 0.00 0.00 42.92 41.15 2v47 s ASP 50 CO 0.00 -1.47 1.43 0.49 -0.00 0.00 0.00 175.17 175.62 2v47 n PHE 51 N -0.94 0.00 0.00 4.23 3.01 -1.26 -4.25 117.46 118.25 2v47 n PHE 51 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 2v47 n PHE 51 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 2v47 n PHE 51 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2v47 n VAL 52 N -0.77 0.00 -3.80 -4.37 0.31 -1.26 -4.28 118.33 104.16 2v47 n VAL 52 Ca 0.11 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.09 2v47 n VAL 52 Cb 0.05 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.87 2v47 n VAL 52 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2v47 s VAL 53 N 0.00 3.29 0.38 2.52 1.01 -1.26 -3.75 120.40 122.59 2v47 s VAL 53 Ca 0.00 -2.83 -0.25 0.00 0.00 0.00 0.00 61.98 58.90 2v47 s VAL 53 Cb 0.00 -3.21 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 2v47 s VAL 53 CO 0.00 -0.81 1.07 -0.69 0.00 0.00 0.00 175.10 174.67 2v47 s VAL 54 N 0.17 3.62 0.19 2.92 1.01 -1.25 -2.84 120.40 124.22 2v47 s VAL 54 Ca 0.15 1.31 0.05 0.00 0.00 0.00 0.00 61.98 63.49 2v47 s VAL 54 Cb -0.22 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 2v47 s VAL 54 CO -0.03 0.08 -0.06 -0.69 0.00 0.00 0.00 175.10 174.39 2v47 s VAL 55 N -1.55 1.19 -0.26 2.92 1.01 -0.93 -3.39 120.40 119.40 2v47 s VAL 55 Ca 0.56 -2.07 -0.13 0.00 0.00 0.00 0.00 61.98 60.34 2v47 s VAL 55 Cb -0.25 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.06 2v47 s VAL 55 CO 0.31 -0.54 0.27 -3.20 0.00 0.00 0.00 175.10 171.93 2v47 n ASN 56 N -0.32 -6.87 0.00 3.32 4.05 -0.16 -4.39 115.26 110.88 2v47 n ASN 56 Ca -0.08 0.52 0.00 0.00 0.45 0.00 0.00 54.58 55.48 2v47 n ASN 56 Cb 0.62 -3.10 0.00 0.00 1.23 0.00 0.00 39.78 38.53 2v47 n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2v47 n ALA 57 N 0.52 0.00 -0.28 5.20 0.00 -1.01 -4.58 120.51 120.37 2v47 n ALA 57 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2v47 n ALA 57 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.87 2v47 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2v47 n ASP 58 N 0.00 -0.16 0.00 0.00 5.75 -1.26 -4.32 116.55 116.57 2v47 n ASP 58 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 2v47 n ASP 58 Cb 0.00 -1.08 0.00 0.00 -1.03 0.00 0.00 41.12 39.01 2v47 n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2v47 n LYS 59 N -1.32 0.00 -0.44 0.11 4.76 -1.26 -4.80 118.16 115.21 2v47 n LYS 59 Ca -0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 2v47 n LYS 59 Cb 0.50 -1.31 -0.04 0.00 -1.84 0.00 0.00 35.03 32.34 2v47 n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2v47 n ILE 60 N 0.00 0.00 -0.73 -0.18 5.41 -1.25 -4.68 119.36 117.93 2v47 n ILE 60 Ca 0.00 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.51 2v47 n ILE 60 Cb 0.00 -0.17 -0.00 0.00 -0.71 0.00 0.00 39.64 38.76 2v47 n ILE 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2v47 n ARG 61 N 2.37 0.00 0.00 0.38 5.12 -1.19 -4.75 116.66 118.60 2v47 n ARG 61 Ca 0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 2v47 n ARG 61 Cb -0.01 -0.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.72 2v47 n ARG 61 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2v47 n VAL 62 N -0.62 0.00 -3.53 1.55 3.14 -1.26 -3.57 118.33 114.03 2v47 n VAL 62 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2v47 n VAL 62 Cb 0.23 0.46 0.00 0.00 -1.06 0.00 0.00 33.84 33.47 2v47 n VAL 62 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2v47 n THR 63 N 0.00 0.00 0.00 1.55 5.66 -1.26 -4.54 114.28 115.69 2v47 n THR 63 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2v47 n THR 63 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2v47 n THR 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2v47 n GLY 64 N 0.00 0.00 2.19 1.09 0.00 -1.26 -4.05 105.19 103.16 2v47 n GLY 64 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2v47 n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2v47 n LYS 65 N 0.00 0.75 -1.34 1.61 4.76 -1.26 -4.99 118.16 117.69 2v47 n LYS 65 Ca 0.00 -3.25 -0.25 0.00 -2.87 0.00 0.00 58.31 51.95 2v47 n LYS 65 Cb 0.00 -1.29 -0.09 0.00 -1.84 0.00 0.00 35.03 31.81 2v47 n LYS 65 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2v47 n LYS 66 N 1.22 2.74 -3.67 1.97 4.76 -1.26 -3.83 118.16 120.10 2v47 n LYS 66 Ca 0.22 -1.94 -0.19 0.00 -2.87 0.00 0.00 58.31 53.52 2v47 n LYS 66 Cb 0.55 -2.26 -0.17 0.00 -1.84 0.00 0.00 35.03 31.31 2v47 n LYS 66 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2v47 s LEU 67 N -0.94 0.07 0.00 -0.35 1.43 -1.26 -3.81 118.68 113.82 2v47 s LEU 67 Ca 0.63 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 2v47 s LEU 67 Cb 0.30 -0.01 0.00 0.00 0.03 0.00 0.00 46.19 46.51 2v47 s LEU 67 CO -0.09 -0.25 0.00 -0.62 0.23 0.00 0.00 176.35 175.62 2v47 n GLU 68 N 5.31 0.00 -0.07 1.70 1.02 -1.26 -4.50 120.64 122.83 2v47 n GLU 68 Ca -0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.00 2v47 n GLU 68 Cb 0.50 -4.18 -0.07 0.00 -0.02 0.00 0.00 31.44 27.67 2v47 n GLU 68 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2v47 n GLN 69 N -1.89 0.36 -2.77 3.49 1.13 -1.25 -4.90 117.38 111.55 2v47 n GLN 69 Ca 0.00 0.09 -0.42 0.00 -1.94 0.00 0.00 57.00 54.73 2v47 n GLN 69 Cb 0.00 -1.26 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 2v47 n GLN 69 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2v47 s LYS 70 N -2.29 4.25 0.06 -1.09 2.47 -1.26 -5.00 119.74 116.88 2v47 s LYS 70 Ca -0.20 1.18 0.08 0.00 -1.56 0.00 0.00 55.97 55.47 2v47 s LYS 70 Cb 0.05 -3.63 -0.03 0.00 -1.46 0.00 0.00 37.83 32.77 2v47 s LYS 70 CO 0.33 -0.54 -0.21 0.42 0.16 0.00 0.00 175.35 175.51 2v47 s ILE 71 N 2.88 1.71 -0.26 5.43 -1.09 -1.26 -1.42 121.20 127.19 2v47 s ILE 71 Ca 0.40 -1.29 -0.01 0.00 -2.23 0.00 0.00 60.65 57.52 2v47 s ILE 71 Cb -0.15 -1.50 0.04 0.00 -1.58 0.00 0.00 42.46 39.27 2v47 s ILE 71 CO 0.08 0.15 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.58 2v47 s TYR 72 N -0.88 3.14 -0.04 3.97 1.51 0.74 -4.86 117.35 120.94 2v47 s TYR 72 Ca 0.07 -1.76 -0.25 0.00 -1.01 0.00 0.00 57.07 54.13 2v47 s TYR 72 Cb -0.09 -2.05 -0.19 0.00 -0.11 0.00 0.00 41.96 39.51 2v47 s TYR 72 CO 0.02 -0.78 1.12 1.15 -1.11 0.00 0.00 175.55 175.96 2v47 h THR 73 N 6.31 1.23 0.00 -0.71 2.02 -1.85 0.83 112.91 120.75 2v47 h THR 73 Ca -0.28 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.70 2v47 h THR 73 Cb 1.09 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 2v47 h THR 73 CO 0.55 0.29 0.00 0.54 0.37 0.00 0.00 175.52 177.27 2v47 n ARG 74 N -4.87 0.00 -4.29 6.66 5.12 -1.26 -4.52 116.66 113.49 2v47 n ARG 74 Ca -0.09 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.66 2v47 n ARG 74 Cb 0.28 -0.10 -0.14 0.00 -1.16 0.00 0.00 32.46 31.34 2v47 n ARG 74 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2v47 s TYR 75 N 0.00 0.90 -0.47 -1.55 1.51 -1.23 -5.06 117.35 111.44 2v47 s TYR 75 Ca 0.00 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.81 2v47 s TYR 75 Cb 0.00 -0.55 0.14 0.00 -0.11 0.00 0.00 41.96 41.44 2v47 s TYR 75 CO 0.00 -0.01 0.28 0.45 -1.11 0.00 0.00 175.55 175.16 2v47 s SER 76 N -0.76 3.54 0.00 2.29 0.15 -1.26 -4.16 113.70 113.50 2v47 s SER 76 Ca 0.00 -2.83 0.00 0.00 0.70 0.00 0.00 55.95 53.82 2v47 s SER 76 Cb -0.06 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2v47 s SER 76 CO 0.00 -0.23 0.73 0.61 1.20 0.00 0.00 173.24 175.55 2v47 n GLY 77 N 3.26 -3.42 0.00 9.45 0.00 -0.86 -4.91 105.19 108.71 2v47 n GLY 77 Ca 0.13 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.83 2v47 n GLY 77 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2v47 n TYR 78 N -1.91 0.00 -0.03 1.61 0.18 -1.26 -5.03 117.16 110.73 2v47 n TYR 78 Ca 0.00 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.63 2v47 n TYR 78 Cb 0.00 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.86 2v47 n TYR 78 CO 0.00 0.00 0.00 -1.00 -2.08 0.00 0.00 176.86 173.78 2v47 h PRO 79 N 0.00 0.26 0.00 -3.48 0.13 -2.05 -3.47 132.00 123.39 2v47 h PRO 79 Ca 0.00 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2v47 h PRO 79 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 2v47 h PRO 79 CO 0.00 0.88 0.00 0.41 -0.23 0.00 0.00 178.00 179.06 2v47 n GLY 80 N 0.77 0.20 3.73 1.56 0.00 -1.26 -5.13 105.19 105.05 2v47 n GLY 80 Ca -0.09 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2v47 n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2v47 s GLY 81 N -0.96 2.61 -0.01 -0.02 0.00 -1.26 -4.95 107.32 102.73 2v47 s GLY 81 Ca 0.00 0.08 0.14 0.00 0.00 0.00 0.00 44.72 44.94 2v47 s GLY 81 CO 0.00 1.02 0.51 1.47 0.00 0.00 0.00 173.10 176.10 2v47 n LEU 82 N 3.42 0.47 -2.80 0.66 -0.00 -1.26 -2.03 117.00 115.45 2v47 n LEU 82 Ca -0.03 -0.36 -0.03 0.00 -0.00 0.00 0.00 56.01 55.59 2v47 n LEU 82 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.91 2v47 n LEU 82 CO 0.46 0.12 -0.47 0.29 -0.00 0.00 0.00 177.39 177.79 2v47 n LYS 83 N -1.51 -3.16 -3.16 1.47 5.02 -1.26 -3.58 118.16 111.98 2v47 n LYS 83 Ca 0.01 2.53 -0.33 0.00 -2.02 0.00 0.00 58.31 58.50 2v47 n LYS 83 Cb 0.26 -3.71 -0.06 0.00 -0.02 0.00 0.00 35.03 31.49 2v47 n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2v47 s LYS 84 N -0.75 4.04 -0.06 1.97 1.02 -1.26 -4.36 119.74 120.33 2v47 s LYS 84 Ca -0.13 0.67 -0.01 0.00 0.02 0.00 0.00 55.97 56.52 2v47 s LYS 84 Cb 0.01 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.77 2v47 s LYS 84 CO 0.52 0.24 0.00 0.42 -0.92 0.00 0.00 175.35 175.61 2v47 s ILE 85 N -1.84 0.34 0.27 2.17 -1.09 0.29 -4.87 121.20 116.47 2v47 s ILE 85 Ca 0.50 0.11 -0.29 0.00 -2.23 0.00 0.00 60.65 58.75 2v47 s ILE 85 Cb -0.12 -0.49 -0.09 0.00 -1.58 0.00 0.00 42.46 40.18 2v47 s ILE 85 CO 0.19 0.24 0.97 -2.16 -1.23 0.00 0.00 174.94 172.95 2v47 s PRO 86 N 1.80 4.72 0.11 2.79 0.04 -1.26 0.26 135.00 143.46 2v47 s PRO 86 Ca 0.02 1.50 -0.34 0.00 0.04 0.00 0.00 61.00 62.22 2v47 s PRO 86 Cb -0.13 -3.11 -0.13 0.00 0.04 0.00 0.00 34.50 31.17 2v47 s PRO 86 CO -0.04 0.38 1.56 1.25 0.04 0.00 0.00 177.00 180.19 2v47 h LEU 87 N 3.78 -1.52 -0.36 -3.56 7.12 -1.44 -1.45 115.31 117.88 2v47 h LEU 87 Ca -0.46 0.16 0.03 0.00 0.13 0.00 0.00 57.88 57.75 2v47 h LEU 87 Cb 1.20 0.57 -0.04 0.00 -0.53 0.00 0.00 40.66 41.85 2v47 h LEU 87 CO 0.67 -0.54 -0.21 -0.62 -0.13 0.00 0.00 178.44 177.61 2v47 n GLU 88 N -5.48 -0.16 -0.33 1.25 1.02 -1.25 0.56 120.64 116.26 2v47 n GLU 88 Ca -0.08 1.08 0.15 0.00 -0.02 0.00 0.00 57.16 58.28 2v47 n GLU 88 Cb 0.41 -1.60 0.34 0.00 -0.02 0.00 0.00 31.44 30.57 2v47 n GLU 88 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2v47 h LYS 89 N 0.00 0.52 -0.63 3.49 3.11 -1.90 0.44 116.57 121.61 2v47 h LYS 89 Ca 0.06 -0.03 0.12 0.00 -2.81 0.00 0.00 60.65 57.99 2v47 h LYS 89 Cb 0.15 -0.12 -0.09 0.00 -1.00 0.00 0.00 32.23 31.17 2v47 h LYS 89 CO -0.34 0.35 0.13 0.52 -2.81 0.00 0.00 179.45 177.30 2v47 h MET 90 N 0.54 0.24 0.69 1.90 2.86 0.12 0.19 114.93 121.47 2v47 h MET 90 Ca 0.59 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 58.19 2v47 h MET 90 Cb 1.08 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.69 2v47 h MET 90 CO -0.48 0.16 -0.38 -0.07 1.06 0.00 0.00 176.91 177.21 2v47 h LEU 91 N 0.25 -0.92 -1.59 1.22 3.38 -0.26 -2.33 115.31 115.06 2v47 h LEU 91 Ca 0.33 0.04 0.30 0.00 0.09 0.00 0.00 57.88 58.65 2v47 h LEU 91 Cb 0.51 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 2v47 h LEU 91 CO -0.43 -0.60 0.74 0.00 0.09 0.00 0.00 178.44 178.24 2v47 h ALA 92 N -1.43 2.57 -1.95 1.53 0.00 -1.26 -0.58 119.26 118.15 2v47 h ALA 92 Ca -0.09 0.03 -0.80 0.00 0.00 0.00 0.00 54.91 54.05 2v47 h ALA 92 Cb 0.77 0.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.33 2v47 h ALA 92 CO 0.12 -0.97 0.72 -2.37 0.00 0.00 0.00 179.25 176.75 2v47 n THR 93 N -4.48 5.20 -2.45 0.00 5.66 0.63 -4.86 114.28 113.98 2v47 n THR 93 Ca 0.26 -5.90 -0.02 0.00 -3.05 0.00 0.00 64.05 55.35 2v47 n THR 93 Cb 1.04 -2.09 -0.01 0.00 -1.55 0.00 0.00 70.33 67.72 2v47 n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2v47 n HIS 94 N 1.33 -3.03 0.08 1.09 -0.00 -0.30 -4.77 115.22 109.62 2v47 n HIS 94 Ca 0.26 1.79 -0.06 0.00 -0.00 0.00 0.00 57.72 59.71 2v47 n HIS 94 Cb 0.34 -2.85 -0.05 0.00 -0.00 0.00 0.00 29.99 27.42 2v47 n HIS 94 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2v47 h PRO 95 N 4.32 0.03 -0.88 -1.40 0.13 -1.35 -3.37 132.00 129.48 2v47 h PRO 95 Ca -0.15 -0.05 0.20 0.00 -0.87 0.00 0.00 66.00 65.14 2v47 h PRO 95 Cb 0.33 0.02 -0.17 0.00 0.13 0.00 0.00 31.00 31.31 2v47 h PRO 95 CO 0.00 0.93 -0.13 -0.85 -0.23 0.00 0.00 178.00 177.72 2v47 n GLU 96 N -3.48 -0.08 -0.29 0.86 0.00 -1.26 0.66 120.64 117.06 2v47 n GLU 96 Ca -0.01 1.35 0.06 0.00 0.00 0.00 0.00 57.16 58.55 2v47 n GLU 96 Cb 0.87 -2.06 0.13 0.00 0.00 0.00 0.00 31.44 30.38 2v47 n GLU 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2v47 n ARG 97 N -5.37 -0.07 0.00 3.44 1.74 -1.26 -0.53 116.66 114.61 2v47 n ARG 97 Ca 0.16 1.24 0.00 0.00 -0.77 0.00 0.00 57.85 58.48 2v47 n ARG 97 Cb 0.53 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2v47 n ARG 97 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2v47 n VAL 98 N -5.27 0.00 -0.00 1.55 0.31 0.21 0.34 118.33 115.46 2v47 n VAL 98 Ca 0.14 1.09 -0.14 0.00 -0.01 0.00 0.00 64.34 65.43 2v47 n VAL 98 Cb 0.43 -1.47 -0.08 0.00 -0.91 0.00 0.00 33.84 31.82 2v47 n VAL 98 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2v47 h LEU 99 N 0.00 -1.49 -0.02 7.52 -0.00 -0.98 0.73 115.31 121.07 2v47 h LEU 99 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 2v47 h LEU 99 Cb 0.00 0.59 -0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2v47 h LEU 99 CO 0.00 -0.46 -0.02 -0.33 -0.00 0.00 0.00 178.44 177.64 2v47 h GLU 100 N -0.54 -0.00 -0.03 1.13 5.08 0.86 0.31 114.58 121.40 2v47 h GLU 100 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2v47 h GLU 100 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2v47 h GLU 100 CO -0.41 -0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.31 2v47 n HIS 101 N -2.96 0.00 -0.23 4.33 8.25 1.02 -0.35 115.22 125.28 2v47 n HIS 101 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2v47 n HIS 101 Cb 0.01 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 2v47 n HIS 101 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2v47 n ALA 102 N -0.45 1.85 0.00 -1.41 0.00 0.25 -4.55 120.51 116.20 2v47 n ALA 102 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2v47 n ALA 102 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2v47 n ALA 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2v47 n VAL 103 N -0.46 0.00 0.10 0.00 0.31 0.52 -4.49 118.33 114.31 2v47 n VAL 103 Ca 0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2v47 n VAL 103 Cb 0.31 -0.50 -0.06 0.00 -0.91 0.00 0.00 33.84 32.69 2v47 n VAL 103 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2v47 h LYS 104 N 0.00 -0.32 -0.07 5.55 3.64 -1.32 0.45 116.57 124.50 2v47 h LYS 104 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2v47 h LYS 104 Cb 0.58 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2v47 h LYS 104 CO 0.00 -0.21 0.00 0.41 -2.27 0.00 0.00 179.45 177.38 2v47 n GLY 105 N -1.30 -0.29 0.23 5.01 0.00 -1.26 -2.48 105.19 105.10 2v47 n GLY 105 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2v47 n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2v47 n MET 106 N -0.39 0.34 -1.03 1.61 2.81 0.14 -5.02 117.12 115.58 2v47 n MET 106 Ca 0.00 0.10 -0.28 0.00 -1.81 0.00 0.00 57.70 55.72 2v47 n MET 106 Cb 0.02 -1.20 0.23 0.00 -0.71 0.00 0.00 33.22 31.56 2v47 n MET 106 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 2v47 n LEU 107 N -3.18 0.00 0.00 4.03 -0.00 -0.19 -5.05 117.00 112.61 2v47 n LEU 107 Ca -0.27 -1.10 0.00 0.00 -0.00 0.00 0.00 56.01 54.64 2v47 n LEU 107 Cb 0.75 -0.93 0.00 0.00 -0.00 0.00 0.00 43.42 43.23 2v47 n LEU 107 CO 0.10 -2.02 0.00 -0.81 -0.00 0.00 0.00 177.39 174.65 2v47 n PRO 108 N -4.52 0.00 -2.66 1.47 -0.04 -1.26 -4.99 135.00 123.00 2v47 n PRO 108 Ca 0.14 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2v47 n PRO 108 Cb 0.55 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.04 2v47 n PRO 108 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2v47 s LYS 109 N 0.00 0.05 -0.05 0.54 0.00 -1.26 -4.92 119.74 114.10 2v47 s LYS 109 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 55.97 55.61 2v47 s LYS 109 Cb 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 37.83 37.95 2v47 s LYS 109 CO 0.00 -0.06 1.34 0.20 0.00 0.00 0.00 175.35 176.82 2v47 s GLY 110 N 1.01 -0.33 0.14 0.59 0.00 -1.26 -4.94 107.32 102.54 2v47 s GLY 110 Ca 0.22 0.51 -0.05 0.00 0.00 0.00 0.00 44.72 45.40 2v47 s GLY 110 CO -0.12 2.54 0.81 -1.05 0.00 0.00 0.00 173.10 175.28 2v47 n PRO 111 N -0.67 -0.06 0.02 2.90 -0.02 -1.26 0.18 135.00 136.09 2v47 n PRO 111 Ca -0.04 0.81 -0.04 0.00 -2.02 0.00 0.00 63.50 62.21 2v47 n PRO 111 Cb 0.61 -1.20 -0.02 0.00 -0.02 0.00 0.00 33.50 32.87 2v47 n PRO 111 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2v47 h LEU 112 N 0.00 -0.37 -0.32 2.45 5.85 -1.96 0.45 115.31 121.41 2v47 h LEU 112 Ca 0.24 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.07 2v47 h LEU 112 Cb 0.37 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 2v47 h LEU 112 CO -0.53 -0.12 -0.16 1.23 -0.34 0.00 0.00 178.44 178.51 2v47 h GLY 113 N -0.16 0.08 -0.98 3.75 0.00 0.15 0.23 103.07 106.13 2v47 h GLY 113 Ca -0.00 0.21 0.12 0.00 0.00 0.00 0.00 47.33 47.65 2v47 h GLY 113 CO -0.07 -0.17 -0.50 -0.09 0.00 0.00 0.00 176.54 175.71 2v47 h ARG 114 N -0.12 -0.01 0.56 4.80 2.43 0.23 0.11 114.38 122.38 2v47 h ARG 114 Ca 0.16 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2v47 h ARG 114 Cb 0.37 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2v47 h ARG 114 CO -0.39 -0.01 -0.35 0.00 -1.51 0.00 0.00 179.97 177.71 2v47 h ARG 115 N -0.01 -0.82 -0.48 0.20 3.08 0.13 -3.15 114.38 113.33 2v47 h ARG 115 Ca 0.24 0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.39 2v47 h ARG 115 Cb 0.50 0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.68 2v47 h ARG 115 CO -0.95 -0.55 -0.28 1.28 -1.07 0.00 0.00 179.97 178.40 2v47 n LEU 116 N -4.59 -0.51 -0.34 3.04 4.77 0.66 0.18 117.00 120.21 2v47 n LEU 116 Ca -0.10 1.12 0.35 0.00 -0.03 0.00 0.00 56.01 57.34 2v47 n LEU 116 Cb 0.36 -0.24 0.73 0.00 -2.33 0.00 0.00 43.42 41.93 2v47 n LEU 116 CO 0.24 -0.83 1.32 0.15 -1.33 0.00 0.00 177.39 176.95 2v47 h PHE 117 N 0.00 0.08 -0.02 -1.77 3.57 -0.89 0.79 116.94 118.71 2v47 h PHE 117 Ca 0.08 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.38 2v47 h PHE 117 Cb 0.20 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2v47 h PHE 117 CO -0.74 0.00 -0.86 0.87 -2.23 0.00 0.00 178.31 175.35 2v47 h LYS 118 N 0.04 0.31 0.45 1.11 1.57 0.19 -3.26 116.57 116.99 2v47 h LYS 118 Ca 0.59 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 2v47 h LYS 118 Cb 2.26 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 34.63 2v47 h LYS 118 CO -0.05 1.00 -0.45 0.00 -0.57 0.00 0.00 179.45 179.38 2v47 h ARG 119 N 0.19 -0.88 -6.31 3.15 2.47 0.17 -3.41 114.38 109.75 2v47 h ARG 119 Ca -0.05 0.06 -0.62 0.00 -1.26 0.00 0.00 59.98 58.11 2v47 h ARG 119 Cb 1.47 0.20 0.03 0.00 -1.65 0.00 0.00 29.97 30.02 2v47 h ARG 119 CO 0.14 -0.59 1.01 -0.11 0.56 0.00 0.00 179.97 180.99 2v47 n LEU 120 N -5.53 3.28 -3.84 3.04 -0.00 -0.92 -4.87 117.00 108.16 2v47 n LEU 120 Ca -0.11 1.00 -0.28 0.00 -0.00 0.00 0.00 56.01 56.62 2v47 n LEU 120 Cb 0.43 -1.37 -0.16 0.00 -0.00 0.00 0.00 43.42 42.32 2v47 n LEU 120 CO 0.27 -0.14 -0.40 -0.54 -0.00 0.00 0.00 177.39 176.58 2v47 s LYS 121 N 3.33 1.14 0.18 1.96 -0.14 -1.25 -4.96 119.74 120.00 2v47 s LYS 121 Ca 0.90 -0.58 0.09 0.00 -1.36 0.00 0.00 55.97 55.02 2v47 s LYS 121 Cb -0.72 -2.16 -0.04 0.00 -1.68 0.00 0.00 37.83 33.23 2v47 s LYS 121 CO 0.50 -0.55 -0.12 0.08 -0.76 0.00 0.00 175.35 174.50 2v47 s VAL 122 N 1.67 3.08 0.27 3.17 1.01 -1.26 -3.98 120.40 124.36 2v47 s VAL 122 Ca -0.02 -1.69 -0.03 0.00 0.00 0.00 0.00 61.98 60.24 2v47 s VAL 122 Cb -0.17 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.71 2v47 s VAL 122 CO -0.07 -0.10 0.41 -1.22 0.00 0.00 0.00 175.10 174.12 2v47 n TYR 123 N 0.11 -1.37 -3.67 5.22 4.02 -1.22 -5.05 117.16 115.20 2v47 n TYR 123 Ca -0.11 -1.65 -0.29 0.00 -0.01 0.00 0.00 57.90 55.84 2v47 n TYR 123 Cb 0.55 0.47 -0.16 0.00 -0.02 0.00 0.00 39.34 40.18 2v47 n TYR 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2v47 s ALA 124 N -2.31 1.02 0.00 -0.72 0.00 -1.26 -0.99 121.76 117.50 2v47 s ALA 124 Ca 0.19 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2v47 s ALA 124 Cb -0.01 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.73 2v47 s ALA 124 CO 0.14 -1.48 0.00 0.41 0.00 0.00 0.00 175.76 174.83 2v47 n GLY 125 N 5.06 -0.29 2.50 0.00 0.00 -1.26 -4.70 105.19 106.50 2v47 n GLY 125 Ca -0.06 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2v47 n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2v47 n PRO 126 N -0.84 -4.09 0.00 1.61 -0.04 -1.26 -4.82 135.00 125.55 2v47 n PRO 126 Ca 0.00 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 2v47 n PRO 126 Cb 0.00 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2v47 n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2v47 n ASP 127 N -5.13 0.00 -2.70 3.54 9.92 -1.26 -4.90 116.55 116.03 2v47 n ASP 127 Ca 0.11 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.20 2v47 n ASP 127 Cb 0.47 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.96 2v47 n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2v47 n HIS 128 N 0.00 1.92 -1.42 1.24 1.44 -1.26 -4.84 115.22 112.30 2v47 n HIS 128 Ca 0.00 -3.11 -0.12 0.00 -2.01 0.00 0.00 57.72 52.48 2v47 n HIS 128 Cb 0.00 -0.30 -0.10 0.00 0.12 0.00 0.00 29.99 29.71 2v47 n HIS 128 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2v47 n PRO 129 N -0.16 0.17 0.00 -1.40 -0.04 -1.26 0.13 135.00 132.45 2v47 n PRO 129 Ca 0.22 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 2v47 n PRO 129 Cb 0.72 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2v47 n PRO 129 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2v47 n HIS 130 N 13.19 0.00 -2.44 0.54 1.44 -1.26 -5.14 115.22 121.56 2v47 n HIS 130 Ca 0.38 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.66 2v47 n HIS 130 Cb 0.40 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.49 2v47 n HIS 130 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 2v47 s GLN 131 N 0.00 4.27 -0.43 -1.40 2.00 0.36 -4.90 119.66 119.55 2v47 s GLN 131 Ca 0.00 1.66 0.08 0.00 -2.00 0.00 0.00 55.36 55.10 2v47 s GLN 131 Cb 0.00 -3.70 0.29 0.00 0.80 0.00 0.00 33.01 30.40 2v47 s GLN 131 CO 0.00 -0.62 0.83 0.00 -0.50 0.00 0.00 175.29 175.00 2v47 n ALA 132 N 6.15 0.36 0.00 1.58 0.00 -1.26 -5.00 120.51 122.33 2v47 n ALA 132 Ca 0.13 -2.30 0.00 0.00 0.00 0.00 0.00 53.44 51.27 2v47 n ALA 132 Cb 0.45 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2v47 n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2v47 n GLN 133 N 0.96 0.00 -2.78 0.00 7.27 -1.26 -5.12 117.38 116.45 2v47 n GLN 133 Ca 0.14 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.08 2v47 n GLN 133 Cb 0.63 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.29 2v47 n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2v47 n ARG 134 N 0.00 1.43 -1.55 3.69 1.85 -1.26 -4.83 116.66 115.98 2v47 n ARG 134 Ca 0.00 -3.48 -0.40 0.00 -1.00 0.00 0.00 57.85 52.96 2v47 n ARG 134 Cb 0.00 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 29.87 2v47 n ARG 134 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2v47 n PRO 135 N -0.03 1.33 -2.23 2.89 -0.04 -1.19 -4.56 135.00 131.16 2v47 n PRO 135 Ca 0.17 0.22 -0.41 0.00 -0.04 0.00 0.00 63.50 63.44 2v47 n PRO 135 Cb 0.75 -3.17 -0.03 0.00 -0.04 0.00 0.00 33.50 31.00 2v47 n PRO 135 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2v47 s GLU 136 N 7.42 4.43 0.53 0.54 2.12 -1.26 -2.39 118.70 130.09 2v47 s GLU 136 Ca 1.02 2.06 0.01 0.00 0.36 0.00 0.00 54.97 58.43 2v47 s GLU 136 Cb -0.36 -3.14 0.01 0.00 0.26 0.00 0.00 34.13 30.90 2v47 s GLU 136 CO 0.33 -0.12 0.07 1.17 -0.54 0.00 0.00 175.26 176.17 2v47 n LYS 137 N 1.56 0.73 -3.25 4.30 4.81 0.53 -4.85 118.16 122.00 2v47 n LYS 137 Ca 0.02 -3.73 -0.44 0.00 -0.87 0.00 0.00 58.31 53.30 2v47 n LYS 137 Cb 0.43 0.90 -0.00 0.00 0.02 0.00 0.00 35.03 36.37 2v47 n LYS 137 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2v47 n LEU 138 N 0.00 5.72 0.00 3.14 4.77 -1.26 -4.69 117.00 124.69 2v47 n LEU 138 Ca -0.18 -5.11 0.00 0.00 -0.03 0.00 0.00 56.01 50.69 2v47 n LEU 138 Cb 0.65 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 2v47 n LEU 138 CO 0.36 1.48 0.00 -0.62 -1.33 0.00 0.00 177.39 177.28